7-(2-hydroxyethyloxy)-4-(3-imidazol-1-ylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 7-(2-hydroxyethyloxy)-4-(3-imidazol-1-ylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 7-(2-hydroxyethoxy)-4-(3-imidazol-1-ylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 7-(2-hydroxyethoxy)-4-[3-(1-imidazolyl)phenyl]-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 7-(2-hydroxyethoxy)-4-(3-imidazol-1-ylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 7-(2-hydroxyethoxy)-4-(3-imidazol-1-ylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C28H22N4O3 MolecularWeight: 462.49928

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C(=C2)OCCO)C#CC3=CC=CC=C3)NC1=O)C4=CC(=CC=C4)N5C=CN=C5

Isomeric SMILES

C1C(=NC2=C(C=C(C(=C2)OCCO)C#CC3=CC=CC=C3)NC1=O)C4=CC(=CC=C4)N5C=CN=C5

InChI

InChI=1S/C28H22N4O3/c33-13-14-35-27-17-26-25(16-22(27)10-9-20-5-2-1-3-6-20)31-28(34)18-24(30-26)21-7-4-8-23(15-21)32-12-11-29-19-32/h1-8,11-12,15-17,19,33H,13-14,18H2,(H,31,34)